1-(3-Bromo-phenyl)-5-(3-methoxy-phenyl)-2-methyl-1H-pyrrole-3-carboxylic acid ethyl ester

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 1-(3-Bromo-phenyl)-5-(3-methoxy-phenyl)-2-methyl-1H-pyrrole-3-carboxylic acid ethyl ester
• 英文别名: Ethyl 1-(3-bromophenyl)-5-(3-methoxyphenyl)-2-methyl-pyrrole-3-carboxylate；ethyl 1-(3-bromophenyl)-5-(3-methoxyphenyl)-2-methylpyrrole-3-carboxylate
• 化学式: C₂₁H₂₀BrNO₃
• 分子量: 414.299
• InChiKey: CRCYJQYLMOJLNH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  26
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  40.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  ethyl 1-(3-methoxyphenyl)-1,4-pentandione-3-carboxylate 、 间溴苯胺 在 对甲苯磺酸 作用下， 以 乙醇 为溶剂， 反应 2.0h， 以49%的产率得到1-(3-Bromo-phenyl)-5-(3-methoxy-phenyl)-2-methyl-1H-pyrrole-3-carboxylic acid ethyl ester
  参考文献：
  名称：

  Pyrrolo[1,2-f]phenanthridines and related non-rigid analogues as antiviral agents

  摘要：

  The pyrrolo[1,2-f]phenanthridines 8-22 and the corresponding non-rigid analogues 23-41 were synthesised and their ability to inhibit the replication of HIV-1 was tested. Only the polycyclic derivatives 10, 11, and 13 showed a weak anti-HIV activity, whereas several pyrrolo-phenanthridines (8, 10, 16-18) were found to stimulate the multiplication of MT-4 cells at low concentrations. Derivative 10 demonstrated to possess the unique property of stimulating the multiplication of lymphocytes joined to HIV inhibition. (C) 2002 Editions scientifiques et medicales Elsevier SAS. All rights reserved.

  DOI：

  10.1016/s0223-5234(01)01289-2